SCHEMBL1695733

SCHEMBL1695733

CC(CCO)NC(=O)C(=Cc1ccc(Cl)cc1)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ ALOX5AP P20292 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ SMO Q99835 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1695631 0.86 GPBAR1 (0.48) PDE10AALOX5ALOX5AP
SCHEMBL1695562 0.86 GPBAR1 (0.48) PDE10AALOX5ALOX5AP
SCHEMBL1695730 0.86 PARP10 (0.44) PARP10SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL1695462 0.85 PARP10 (0.51) PARP10SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL1695460 0.85 PARP10 (0.51) PARP10SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL7705577 0.80 PARP10 (0.60) PARP10SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL7705364 0.80 PARP10 (0.60) PARP10SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL7701155 0.79 GPBAR1 (0.50) PDE10AALOX5ALOX5AP
SCHEMBL1695900 0.79 PARP10 (0.47) PARP10SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL1695898 0.79 PARP10 (0.47) PARP10SMN1; SMN2ALDH1A1KDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011138657-A1 ARYL SUBSTITUTED OLEFINIC COMPOUNDS AS PDE10A INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-11-10 — — WO disclosed
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